N-(3-carbamothioylphenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)ethanamide

Systemtic Name: N-(3-carbamothioylphenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)ethanamide Openeye Name: N-(3-carbamothioylphenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide CAS Name: N-(3-carbamothioylphenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide IUPAC Name: N-(3-carbamothioylphenyl)-2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)acetamide Traditional Name: 2-(4-methyl-1,4-diazepane-1,4-diium-1-yl)-N-(3-thiocarbamoylphenyl)acetamide Formula: C15H24N4OS+2 MolecularWeight: 308.44226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC(=O)NC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C15H22N4OS/c1-18-6-3-7-19(9-8-18)11-14(20)17-13-5-2-4-12(10-13)15(16)21/h2,4-5,10H,3,6-9,11H2,1H3,(H2,16,21)(H,17,20)/p+2